3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole

C20H26N4O2S — CID 169304906

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
SMILESCCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3
InChIKeyYOKBCVOZAKXDNT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.05
Rot. Bonds8

About 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole

3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole (PubChem CID 169304906) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
PubChem CID169304906
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
SMILESCCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3
InChIKeyYOKBCVOZAKXDNT-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-iodophenyl)-6-pyridin-4-ylindole
CID 169304810
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
CID 166912114
6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 166910904
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
CID 166911189
1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole
CID 166911686
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
CID 166910693
6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole
CID 166911695
3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole
CID 166911523
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
CID 166911075
2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
CID 166912138
2-[1-[(2,4-difluorophenyl)methyl]-6-pyridin-4-ylindol-3-yl]-N-(dimethylaminosulfanyl)ethanamine
CID 166911390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole (CID 169304906) is 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole is CCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The InChIKey is YOKBCVOZAKXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole has a molecular weight of 386.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole is sourced from PubChem (CID 169304906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).